4-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[2-(4-chlorophenyl)sulfonylethylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[2-(4-chlorophenyl)sulfonylethylthio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C23H16ClN3O3S2 MolecularWeight: 481.97444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H16ClN3O3S2/c24-17-7-11-19(12-8-17)32(29,30)14-13-31-23-26-21-4-2-1-3-20(21)22(28)27(23)18-9-5-16(15-25)6-10-18/h1-12H,13-14H2